Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 4/20 | 0.41 |
| ▸ | PNMT | P11086 | 2/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.36 |
| ▸ | NCF1 | P14598 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30556230 | 0.83 | — | — | |
| SCHEMBL6621 | 0.83 | — | — | |
| SCHEMBL29257301 | 0.81 | TAAR1 (0.65) | TAAR1IDO1ALDH1A1MAOBPNMT | |
| Hydrochloric Acid SCHEMBL6926750 | 0.81 | TAAR1 (0.65) | TAAR1IDO1ALDH1A1MAOBPNMT | |
| Bromide SCHEMBL31513719 | 0.81 | TAAR1 (0.65) | TAAR1IDO1ALDH1A1MAOBPNMT | |
| Propylamine SCHEMBL6559405 | 0.73 | TSHR (0.55) | TSHRALDH1A1MAOBMAOA | |
| SCHEMBL10535124 | 0.72 | PNMT (0.52) | TSHRALDH1A1PNMTHTTSMN1; SMN2 | |
| Benzylamine SCHEMBL7398997 | 0.71 | LOXL2 (0.64) | TAAR1NPC1RAB9ATSHRMAOB | |
| SCHEMBL23005039 | 0.71 | TAAR1 (0.71) | TAAR1IDO1MAOBPNMTAOC3 | |
| Hydrazine SCHEMBL2172540 | 0.71 | TSHR (0.75) | TSHRIDO1MAOBPNMTMAOA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1487798-A4 | SUBSTITUTED TETRAHYDROISOQUINOLINES AS C5A RECEPTOR MODULATORS | NEUROGEN CORP (US) | 2005-07-13 | — | — | EP | disclosed |
| US-6916830-B2 | Substituted tetrahydroisoquinolines as C5a receptor modulators | NEUROGEN CORPORATION (US) | 2005-07-12 | — | — | US | disclosed |
| EP-1487798-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AS C5A RECEPTOR MODULATORS | Neurogen Corporation (US) | 2004-12-22 | — | — | EP | disclosed |
| US-20040204446-A1 | Nitrogen compounds such as N-(2-Fluoro-benzyl)-N-indan-2-yl-2-(3-methyl-2-o-tolyl-piperidin-1-yl) -acetamide, administered for prophylaxis arthritis, psoriasis, cardiovascular disorders, reperfusion injury or respiratory system disorders | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2004-10-14 | — | — | US | disclosed |
| US-6777422-B2 | FOR TREATING A VARIETY OF INFLAMMATORY AND IMMUNE SYSTEM DISORDERS | NEUROGEN CORP. | 2004-08-17 | — | — | US | disclosed |
| US-20040006069-A1 | Substituted tetrahydroisoquinolines as C5a receptor modulators | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2004-01-08 | — | — | US | disclosed |
| WO-2003082828-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AS C5A RECEPTOR MODULATORS | NEUROGEN CORPORATION (US) | 2003-10-09 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040006069-A1 | Substituted tetrahydroisoquinolines as C5a receptor modulators | C5AR1, C3AR1, C5AR2 | TAAR1 286/4885NPC1 2523/4885RAB9A 1068/4885 |
| US-20040204446-A1 | Nitrogen compounds such as N-(2-Fluoro-benzyl)-N-indan-2-yl-2-(3-methyl-2-o-tolyl-piperidin-1-yl) -acetamide, administered for prophylaxis arthritis, psoriasis, cardiovascular disorders, reperfusion injury or respiratory system disorders | C5AR1, C3AR1, C5AR2 | TAAR1 218/4885NPC1 2062/4885RAB9A 2127/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.